SCHEMBL8434768

SCHEMBL8434768

CCc1nc(Sc2ccc(OC)cc2)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.52
EDNRB P24530 7/20 0.39
BRS3 P32247 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7501757 0.92 EDNRA (0.55) EDNRAEDNRBBRS3
SCHEMBL7495951 0.89 EDNRA (0.46) EDNRAEDNRBBRS3KDM4EALDH1A1
SCHEMBL6579920 0.89 EDNRA (0.46) EDNRAEDNRBBRS3KDM4EALDH1A1
SCHEMBL7501755 0.88 EDNRA (0.44) EDNRAEDNRBBRS3KDM4EALDH1A1
SCHEMBL9093216 0.88 EDNRA (0.46) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL8435187 0.87 EDNRA (0.44) EDNRAEDNRBBRS3KDM4EALDH1A1
SCHEMBL6580198 0.87 EDNRA (0.44) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7494883 0.86 EDNRA (0.46) EDNRAEDNRBBRS3KDM4EALDH1A1
SCHEMBL6582508 0.86 EDNRA (0.43) EDNRAEDNRBALDH1A1
SCHEMBL6582430 0.85 EDNRA (0.43) EDNRAEDNRBALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed